2-(undecanoylamino)ethyl prop-2-enoate

C16H29NO3 — CID 21196858

IUPAC2-(undecanoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)CCCCCCCCCC
InChIInChI=1S/C16H29NO3/c1-3-5-6-7-8-9-10-11-12-15(18)17-13-14-20-16(19)4-2/h4H,2-3,5-14H2,1H3,(H,17,18)
InChIKeyKLNHMCWEHXWXOR-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.36
Rot. Bonds13

About 2-(undecanoylamino)ethyl prop-2-enoate

2-(undecanoylamino)ethyl prop-2-enoate (PubChem CID 21196858) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-(undecanoylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(undecanoylamino)ethyl prop-2-enoate
PubChem CID21196858
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2-(undecanoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)CCCCCCCCCC
InChIInChI=1S/C16H29NO3/c1-3-5-6-7-8-9-10-11-12-15(18)17-13-14-20-16(19)4-2/h4H,2-3,5-14H2,1H3,(H,17,18)
InChIKeyKLNHMCWEHXWXOR-UHFFFAOYSA-N
XLogP3.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(undecanoylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(undecanoylamino)ethyl prop-2-enoate (CID 21196858) is 2-(undecanoylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(undecanoylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(undecanoylamino)ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)CCCCCCCCCC.
What is the InChIKey of 2-(undecanoylamino)ethyl prop-2-enoate?
The InChIKey is KLNHMCWEHXWXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-5-6-7-8-9-10-11-12-15(18)17-13-14-20-16(19)4-2/h4H,2-3,5-14H2,1H3,(H,17,18).
What are the key properties of 2-(undecanoylamino)ethyl prop-2-enoate?
2-(undecanoylamino)ethyl prop-2-enoate has a molecular weight of 283.41 g/mol, XLogP of 3.36, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(undecanoylamino)ethyl prop-2-enoate is sourced from PubChem (CID 21196858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).